Abstract
Abstract In the present paper structural and electronic properties of rare earth pnictides have been presented. The present calculation has been performed using self-consistent tight binding linear muffin tin orbital (TB-LMTO) method within the local density approximation (LDA). The studied compounds undergo a structural phase transition from NaCl-type structure to CsCl-type structure. The electronic band structure and density of states of the pnictides have been reported. The equilibrium lattice parameter a (Å), bulk modulus B (GPa), number of f-states at the Fermi level Nf (states/Ry cell) and volume collapse of AmBi and CmBi have also been reported. The calculated equilibrium structural parameters are in good agreement with the available experimental results.
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